SCHEMBL2633216

SCHEMBL2633216

CCCCOCCC(CN)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
OPRM1 P35372 4/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
OPRL1 P41146 4/20 0.39
AOC3 Q16853 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2633195 0.83 HTR2A (0.42)
SCHEMBL7538162 0.82 SLC6A2 (0.43) SLC7A5OPRM1OPRD1OPRK1OPRL1
SCHEMBL2628023 0.78 IDO1 (0.42) SLC6A2SLC6A4IDO1TDO2
SCHEMBL2633138 0.77 OPRM1 (0.36) SLC7A5OPRM1OPRD1OPRK1OPRL1
SCHEMBL9883145 0.76 SLC6A2 (0.46) AOC3SLC6A2SLC6A4IDO1TDO2
SCHEMBL11077274 0.75 IDO1 (0.52) SLC7A5AOC3SLC6A2SLC6A4IDO1
SCHEMBL19101512 0.73 OPRM1 (0.39) SLC7A5OPRM1OPRD1OPRK1OPRL1
SCHEMBL21732183 0.73 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1AOC3
SCHEMBL21555784 0.73 OPRM1 (0.39) SLC7A5OPRM1OPRD1OPRK1OPRL1
SCHEMBL2628025 0.73 SLC6A2 (0.43) SLC7A5AOC3SLC6A2SLC6A4IDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 SLC7A5 4125/4885OPRM1 549/4885OPRD1 233/4885
US-20120094983-A1 ACYCLIC IKUR INHIBITORS KCNH2, KCNJ2, KCNH3 SLC7A5 4125/4885OPRM1 549/4885OPRD1 233/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.